Mol:FLIF1LNI0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2234 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2234 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2234 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2234 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6671 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6671 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1107 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1107 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1107 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1107 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6671 0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6671 0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5544 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5544 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0019 -0.4763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0019 -0.4763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0019 0.1661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0019 0.1661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5544 0.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5544 0.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5580 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5580 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5580 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5580 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1527 -1.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1527 -1.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7475 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7475 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7475 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7475 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1527 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1527 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5544 -1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5544 -1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1798 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1798 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5582 0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5582 0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6990 0.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6990 0.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6671 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6671 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1110 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1110 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1110 2.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1110 2.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5560 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5560 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6659 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6659 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7354 -1.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7354 -1.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4498 -2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4498 -2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7475 -1.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7475 -1.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7475 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7475 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 14 28 1 0 0 0 0 | + | 14 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 31 | + | M SBL 2 1 31 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 31 1.9845 -1.6904 | + | M SVB 2 31 1.9845 -1.6904 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 0.7354 -1.9991 | + | M SVB 1 29 0.7354 -1.9991 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIF1LNI0002 | + | ID FLIF1LNI0002 |
| − | KNApSAcK_ID C00009574 | + | KNApSAcK_ID C00009574 |
| − | NAME Rotenonic acid | + | NAME Rotenonic acid |
| − | CAS_RN 70191-71-8 | + | CAS_RN 70191-71-8 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES c(c41)c(c(OC)cc(OCC(C24)Oc(c3CC=C(C)C)c(ccc3O)C2=O)1)OC | + | SMILES c(c41)c(c(OC)cc(OCC(C24)Oc(c3CC=C(C)C)c(ccc3O)C2=O)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-2.2234 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2234 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6671 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1107 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1107 0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6671 0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5544 -0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0019 -0.4763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0019 0.1661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5544 0.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5580 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5580 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 -1.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7475 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7475 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5544 -1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1798 0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5582 0.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6990 0.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6671 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 2.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5560 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7354 -1.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4498 -2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 -1.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7475 -1.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
13 26 1 0 0 0 0
26 27 1 0 0 0 0
14 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 1.9845 -1.6904
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 0.7354 -1.9991
S SKP 8
ID FLIF1LNI0002
KNApSAcK_ID C00009574
NAME Rotenonic acid
CAS_RN 70191-71-8
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES c(c41)c(c(OC)cc(OCC(C24)Oc(c3CC=C(C)C)c(ccc3O)C2=O)1)OC
M END
